Difference between revisions of "Ec-06 009670"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-8678 CPD-8678] == * smiles: ** CCC=CCC=CC=CC(CCCCCCCC([O-])=O)OO * inchi key: ** InChIKey=R...")
 
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-19163 CPD-19163] == * smiles: ** CCCCCCC=CCCCCCCCC=CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O...")
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-8678 CPD-8678] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-19163 CPD-19163] ==
 
* smiles:
 
* smiles:
−
** CCC=CCC=CC=CC(CCCCCCCC([O-])=O)OO
+
** CCCCCCC=CCCCCCCCC=CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]
 
* inchi key:
 
* inchi key:
−
** InChIKey=RWKJTIHNYSIIHW-MEBVTJQTSA-M
+
** InChIKey=OPMPWWFMNYWBGF-PKYBCSRXSA-J
 
* common name:
 
* common name:
−
** 9(S)-HPOTE
+
** (2E,11Z)-octadecenoyl-CoA
 
* molecular weight:
 
* molecular weight:
−
** 309.425    
+
** 1025.937    
 
* Synonym(s):
 
* Synonym(s):
−
** 9(S)-hydroperoxy-10(E),12(Z),15(Z)-octadecatrienoic acid
+
** 18:2-Δ2,Δ11-CoA
−
** 9(S)-hydroperoxy-10(E),12(Z),15(Z)-octadecatrienoate
+
** 2-trans,11-cis-octadecenoyl-CoA
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 +
* [[RXN-17785]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
−
* [[RXN-8497]]
+
* [[RXN-17784]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
−
* PUBCHEM:
+
{{#set: smiles=CCCCCCC=CCCCCCCCC=CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]}}
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=49852426 49852426]
+
{{#set: inchi key=InChIKey=OPMPWWFMNYWBGF-PKYBCSRXSA-J}}
−
* CHEBI:
+
{{#set: common name=(2E,11Z)-octadecenoyl-CoA}}
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=60962 60962]
+
{{#set: molecular weight=1025.937   }}
−
* LIGAND-CPD:
+
{{#set: common name=18:2-Δ2,Δ11-CoA|2-trans,11-cis-octadecenoyl-CoA}}
−
** [http://www.genome.jp/dbget-bin/www_bget?C16321 C16321]
+
{{#set: consumed by=RXN-17785}}
−
{{#set: smiles=CCC=CCC=CC=CC(CCCCCCCC([O-])=O)OO}}
+
{{#set: produced by=RXN-17784}}
−
{{#set: inchi key=InChIKey=RWKJTIHNYSIIHW-MEBVTJQTSA-M}}
+
−
{{#set: common name=9(S)-HPOTE}}
+
−
{{#set: molecular weight=309.425   }}
+
−
{{#set: common name=9(S)-hydroperoxy-10(E),12(Z),15(Z)-octadecatrienoic acid|9(S)-hydroperoxy-10(E),12(Z),15(Z)-octadecatrienoate}}
+
−
{{#set: produced by=RXN-8497}}
+

Revision as of 21:34, 17 March 2018

Metabolite CPD-19163

  • smiles:
    • CCCCCCC=CCCCCCCCC=CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]
  • inchi key:
    • InChIKey=OPMPWWFMNYWBGF-PKYBCSRXSA-J
  • common name:
    • (2E,11Z)-octadecenoyl-CoA
  • molecular weight:
    • 1025.937
  • Synonym(s):
    • 18:2-Δ2,Δ11-CoA
    • 2-trans,11-cis-octadecenoyl-CoA

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"CCCCCCC=CCCCCCCCC=CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-" cannot be used as a page name in this wiki.




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